4OIT
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-03-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.030, 80.080, 56.910 |
Unit cell angles | 90.00, 105.98, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.240 |
R-factor | 0.22216 |
Rwork | 0.220 |
R-free | 0.26108 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Native structure |
RMSD bond length | 0.006 |
RMSD bond angle | 1.116 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.360 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.112 | 0.380 |
Number of reflections | 19379 | |
<I/σ(I)> | 6.2 | |
Completeness [%] | 98.7 | 97.2 |
Redundancy | 2.7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.2M tri-sodium citrate, 0.1M Na HEPES, 6% glycerol, 30%(w/v) 1,5 diammino pentane dihydrochloride, 60mM mannose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |